Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate
TL;DR: Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate (CAS 380442-79-5) is a chemical compound with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-2-phenyl-3-sulfanylidene-1,2-thiazole-4-carboxylate
Also Known As: 5-Amino-2-phenyl-3-thioxo-2,3-dihydro-isothiazole-4-carboxylic acid ethyl ester, ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate, Ethyl 5-amino-2-phenyl-3-thioxo-2,3-dihydroisothiazole-4-carboxylate, ethyl 5-amino-2-phenyl-3-sulfanylidene-1,2-thiazole-4-carboxylate, ethyl 5-amino-2-phenyl-3-thioxo-isothiazole-4-carboxylate
| Molecular Formula | C12H12N2O2S2 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 3.02719 |
| Topological Polar Surface Area | 57.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.03403 |
| Heavy Atoms | 18 |
| Complexity | 616.7528 |
Chemical Identifiers
| CAS Number | 380442-79-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SN(C1=S)C2=CC=CC=C2)N |
Product Overview
Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate (CAS 380442-79-5), with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol. IUPAC: ethyl 5-amino-2-phenyl-3-sulfanylidene-1,2-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate
Property Insights of Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate
The XLogP value of 3.02719 indicates that Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.25 Ų, Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate?
The CAS number of Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate is 380442-79-5.
What is the molecular formula of Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate is C12H12N2O2S2.
What is the molecular weight of Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate is 280.03 g/mol.
Where can I buy Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-2-phenyl-3-sulfanylidene-2,3-dihydro-1,2-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.